N-[5-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-thienyl]benzamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4OS/c1-2-20-16-19(23(29-20)25-22(28)18-8-4-3-5-9-18)17-26-12-14-27(15-13-26)21-10-6-7-11-24-21/h3-11,16H,2,12-15,17H2,1H3,(H,25,28)/p+1